S346-0251 Screening compound: N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclobutanecarboxamide

S346-0251 Screening compound: N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclobutanecarboxamide
S346-0251 Screening compound: N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S346-0251
N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclobutanecarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S346-0251

Molecular Formula

C17H20N4O (C17 H20 N4 O)

Compound Name

N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)cyclobutanecarboxamide

IUPAC name

N-(3-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)cyclobutanecarboxamide

SMILES

O=C(C1CCC1)Nc1cc(-c2nnc3n2CCCC3)ccc1

InChI

InChI=1S/C17H20N4O/c22-17(12-5-3-6-12)18-14-8-4-7-13(11-14)16-20-19-15-9-1-2-10-21(15)16/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,18,22)

InChI Key

DBFOKFYIMPUGRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.804

Distribution Coefficient, logD

1.801

Water Solubility, LogSw

-2.24

Polar Surface Area

48.546

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

S346-0251 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S346-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0251?
Check Price and Availability of S346-0251, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S346-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0251
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S346-0251 available by request